Natural Products and Bioprospecting最新文献

{"title":"Dual inhibition of FAS and HAS2/3 by 4-MU in Realgar-Coptis chinensis unveils a metabolic checkpoint for liver cancer therapy","authors":"Songtao Wu,&nbsp;Yingying Wang,&nbsp;Denghui Deng,&nbsp;Guohua Zheng,&nbsp;Hanxiang Mei,&nbsp;Cong Wang,&nbsp;Xiang Zheng,&nbsp;Chun Gui,&nbsp;Fei Liao,&nbsp;Meixian Xiang","doi":"10.1007/s13659-025-00540-9","DOIUrl":"10.1007/s13659-025-00540-9","url":null,"abstract":"<div><p>Modern pharmacology has found that both Realgar and <i>Coptis chinensis</i> can induce apoptosis in tumor cells, and traditional Chinese medicine theory suggests the possibility of combining the two, however, the specific mechanisms involved have not been elucidated. This study investigated the therapeutic mechanism of the Realgar-Coptis chinensis drug pair (RCCD) against hepatocellular carcinoma (HCC) by identifying its key active compounds and targets. Through integrated LC–MS analysis, transcriptomics, network pharmacology, and bioinformatics, we identified the mechanism of action, key bioactive compounds, and core targets. Molecular docking, molecular dynamics simulations, and microscale thermophoresis (MST) validated the binding affinity between key compounds and core targets. TIMER2.0 database was used to analyze the relationship between the core targets and HCC. H22 tumor xenograft mouse model and immunohistochemistry and pathology analyses were performed to validate the antitumor efficacy of the active compounds. RCCD has a high degree of selectivity of lipid metabolism pathway, 4-Methylumbelliferone (4-MU) was the key active compound with strong binding activity to the core target fatty acid synthase (FAS), and 4-MU down-regulated the expression of FASN in tumor tissues and induced apoptosis in HCC cells. In addition, as a hyaluronan synthase (HAS2/3) inhibitor, 4-MU interfered with the HA-dependent tumor microenvironment and fibrosis process by inhibiting HAS2/3. Thus, 4-MU may inhibit tumor progression by inhibiting FAS and HAS2/3. 4-MU extracted from RCCD exerts anti-HCC effects by modulating the activities of FAS and HAS2/3, thereby reprogramming lipid metabolism and regulating hyaluronan synthesis.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":718,"journal":{"name":"Natural Products and Bioprospecting","volume":"15 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13659-025-00540-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144880798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Senkyunolide H reverses depression-induced breast cancer progression by regulating CXCR2","authors":"Yingchao Wu,&nbsp;Jiaqi Cui,&nbsp;Liushan Chen,&nbsp;Jieting Chen,&nbsp;Junfeng Huang,&nbsp;Congwen Yang,&nbsp;Yuqi Liang,&nbsp;Qianjun Chen,&nbsp;Qian Zuo","doi":"10.1007/s13659-025-00543-6","DOIUrl":"10.1007/s13659-025-00543-6","url":null,"abstract":"<div><h3>Background</h3><p>Depression promotes breast cancer progression. Given the lack of specific targets for depression-associated breast cancer, there are currently no therapeutic drugs for this type of breast cancer.</p><h3>Methods</h3><p>Transcriptomic analysis was conducted to identify and functionally annotate genes with differential expression in breast cancer patients exhibiting depressive symptoms. Subsequently, Mendelian randomization was employed to investigate the causal associations between these pivotal genes and breast cancer, thereby validating their potential roles as therapeutic targets. Furthermore, molecular docking techniques were utilized to screen for candidate compounds that may exert therapeutic effects on depression-associated breast cancer. The efficacy of the selected compounds was further assessed using both in vitro cellular experiments and in vivo animal models.</p><h3>Results</h3><p>We identified IL-8 as a key gene involved in depression-mediated breast cancer progression using transcriptomics. Mendelian randomized analysis suggested that high IL-8 expression promoted breast cancer progression. Further studies demonstrated that IL-8 mediated the breast cancer-promoting effect of depression through the receptor CXCR2. Evidence from both in vitro and in vivo experiments indicates that senkyunolide H may exert its therapeutic effect by regulating CXCR2, thereby counteracting the protumor effects associated with depression in breast cancer.</p><h3>Conclusion</h3><p>Depression activates CXCR2-mediated breast cancer cell proliferation through IL-8, and senkyunolide H regulates CXCR2 and inhibits its ability to block the cancer-promoting effects of depression, ultimately inhibiting the growth of breast cancer in the context of depression.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":718,"journal":{"name":"Natural Products and Bioprospecting","volume":"15 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13659-025-00543-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144880797","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction: Design of 20‑deoxyingenol‑esters‑based PKC agonists and their lysosome biogenesis‑enhancing activity","authors":"Jia‑Jia Wan,&nbsp;Qiu‑Yuan Yin,&nbsp;Mao Sun,&nbsp;Cui‑Shan Zhang,&nbsp;Hao‑Jing Zang,&nbsp;Pei‑Tong Yao,&nbsp;Ming‑Rui Yuan,&nbsp;Ding‑Kang Chen,&nbsp;Feng Guo,&nbsp;Qun Chen,&nbsp;Bo‑Wen Ouyang,&nbsp;Zi‑Fei Xu,&nbsp;Ming‑Ming Cao,&nbsp;Chong‑Lin Yang,&nbsp;Xiao‑Jiang Hao,&nbsp;Ying‑Tong Di","doi":"10.1007/s13659-025-00537-4","DOIUrl":"10.1007/s13659-025-00537-4","url":null,"abstract":"","PeriodicalId":718,"journal":{"name":"Natural Products and Bioprospecting","volume":"15 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13659-025-00537-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144868886","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction: Concise syntheses of natural diarylheptanoids containing a 1,4‑pentadiene unit","authors":"Guang Tao,&nbsp;Xin‑Yue Hu,&nbsp;Hong‑Xing Liu,&nbsp;Xing‑Ren Li,&nbsp;Li‑Dong Shao,&nbsp;Gang Xu","doi":"10.1007/s13659-025-00525-8","DOIUrl":"10.1007/s13659-025-00525-8","url":null,"abstract":"","PeriodicalId":718,"journal":{"name":"Natural Products and Bioprospecting","volume":"15 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2025-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13659-025-00525-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144861494","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction: Xiaoyankangjun tablet alleviates dextran sulfate sodium‑induced colitis in mice by regulating gut microbiota and JAK2/STAT3 pathway","authors":"Suqin Yang,&nbsp;Jingtao Huang,&nbsp;Wenjing Tan,&nbsp;Xiankun Xia,&nbsp;Dali Gan,&nbsp;Yalei Ren,&nbsp;Hanwen Su,&nbsp;Meixian Xiang","doi":"10.1007/s13659-025-00536-5","DOIUrl":"10.1007/s13659-025-00536-5","url":null,"abstract":"","PeriodicalId":718,"journal":{"name":"Natural Products and Bioprospecting","volume":"15 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13659-025-00536-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832220","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Harnessing Actinobacteria secondary metabolites for tuberculosis drug discovery: Historical trends, current status and future outlooks","authors":"Luana Layse Câmara de Almeida,&nbsp;Sayoane Pessoa Fernandes,&nbsp;Genil Dantas de Oliveira,&nbsp;Marcelly da Silveira Silva,&nbsp;Thalisson Amorim de Souza,&nbsp;Valnês S. Rodrigues-Junior,&nbsp;Samuel Paulo Cibulski","doi":"10.1007/s13659-025-00533-8","DOIUrl":"10.1007/s13659-025-00533-8","url":null,"abstract":"<div><p>Tuberculosis (TB) is a leading infectious disease killer and one of the major causes of deaths worldwide. Although TB is a curable and preventable disease, in 2023, approximately 10.8 million people fell ill with TB and there were an estimated 1.25 million of deaths worldwide. Despite some research progress for new drug candidates, drug repurposing, and new regimens, there is still an urgent need for the new medicins to treat TB, especially due to the growing cases of multidrug and extensively drug-resistant (MDR/XDR) strains. Drug resistance is a challenging obstacle to TB care and prevention globally, making TB harder and longer to treat, often with poorer outcomes for patients. The Actinomycetota encompass Gram-positive bacteria that produce a milieu of bioactive metabolites, including antibiotics, antiproliferative drugs, immunosuppressive agents, and other important medical molecules. Actinomycetota have a special place in the therapeutic arsenal to fight TB, as rifamycins, aminoglycosides, and cycloserine are derived from <i>Streptomyces</i> species, one of the most important genera in this phylum. Furthermore, hundreds of antimycobacterial metabolites have been isolated from Actinomycetota and can serve as effective drugs or useful agents for the discovery of new lead compounds to combat TB. The present review covers more than 171 isolated substances as potential antimycobacterial agents discovered between the years 1972 to 2024. Among the most potent compounds, with MIC in the submicromolar range, steffimycins, ilamycins/rufomycins, nosiheptide, actinomycins, lassomycin and boromycin are the most promising compounds. These compounds represent highly promising candidates for development of new antitubercular drugs. Additionally, some of these substances also demonstrated activity against resistant <i>Mycobacterium tuberculosis</i> (Mtb) strains, which is particularly relevant given the difficulty of treating MDR and XDR strains. Thus, actinobacteria have played and continue to play an important role in fight TB, remaining a promising source of antibiotic metabolites. Their unique metabolic diversity enables the production of metabolites with innovative mechanisms of action, making them a strategic reservoir for discovering therapies against untreatable forms of the disease.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":718,"journal":{"name":"Natural Products and Bioprospecting","volume":"15 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2025-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13659-025-00533-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144810776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and biological activity study of tanshinone I-pyridinium salt derivatives","authors":"Huimin Zhao,&nbsp;Yuyang Wang,&nbsp;Zining Liu,&nbsp;Lin Lin,&nbsp;Jiasi Xiang,&nbsp;Zihao Zhu,&nbsp;Xiongli Yang,&nbsp;Yongsheng Fang,&nbsp;Lingmei Kong,&nbsp;Yan Li","doi":"10.1007/s13659-025-00534-7","DOIUrl":"10.1007/s13659-025-00534-7","url":null,"abstract":"<div><p>Natural product tanshinone I exhibits weak potency and poor drug-like properties, which have restricted its clinical development as an anticancer agent. Herein, twenty novel tanshinone I-pyridinium salt derivatives and a pyridinium salt precursor were designed and synthesized, and their antitumor activities were evaluated. Among these tanshinone I-pyridinium salts, compound <b>a4</b>, bearing a 4-bromobenzoylmethyl substituent at the <i>N</i>-1 position of the pyridine ring, showed the most potent cytotoxicity against breast cancer (MDA-MB-231), hepatocellular carcinoma (HepG2), and prostate cancer (22RV1) cell lines, with IC₅₀ values of 1.40–1.63 μM. Preliminary mechanistic studies suggest that <b>a4</b> targets PI3Kα with the IC₅₀ of 9.24 ± 0.20 μM and exerts effective inhibition of the phosphorylation of key PI3K/Akt/mTOR signaling proteins. Besides, <b>a4</b> significantly downregulates the expression of the immune checkpoint protein PD-L1, indicating its potential to activate tumor immunity. These findings demonstrate that tanshinone I-pyridinium salt derivative <b>a4</b> is a novel PI3Kα inhibitor, providing a solid foundation for further development of antitumor agents.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":718,"journal":{"name":"Natural Products and Bioprospecting","volume":"15 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2025-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12332164/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797901","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ginkgetin from Ginkgo biloba: mechanistic insights into anticancer efficacy","authors":"Bei Xiong,&nbsp;Jin-Jian Lu,&nbsp;Hongwei Guo,&nbsp;Mingqing Huang,&nbsp;Ting Li","doi":"10.1007/s13659-025-00535-6","DOIUrl":"10.1007/s13659-025-00535-6","url":null,"abstract":"<div><p>The extraction of anticancer agents from medicinal plants represents a highly promising research frontier. Ginkgetin, a natural biflavone, is one of the effective pharmacological components of <i>Ginkgo biloba</i> leaves (GBLs). This natural product exhibits significant anti-cancer efficacy against a variety of cancer cells in vitro and demonstrates a potent inhibitory impact on tumor growth in vivo without severe toxicity. Additionally, ginkgetin synergizes with chemotherapy drugs or adjuvant therapies to potentiate antitumor effects and reduce side effects. These compelling findings underscore Ginkgetin's potential as a promising candidate for novel anti-cancer therapeutics. Therefore, this review systematically summarizes the remarkable anticancer effects of ginkgetin and elucidates its multifaceted anticancer mechanisms, including inducing cell cycle arrest, triggering programmed cell death, and preventing invasion and angiogenesis. From a molecular mechanism perspective, ginkgetin exerts anti-cancer activity by modulating critical signaling pathways (e.g. JAK/STAT, Wnt/β-catenin, AKT/GSK-3β, MAPKs, and estrogen receptor pathways) and regulating microRNA expression levels. Furthermore, target identification, research limitations, future directions, and application prospects are comprehensively outlined, aiming to facilitate the clinical translation of ginkgetin.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":718,"journal":{"name":"Natural Products and Bioprospecting","volume":"15 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12325161/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144783179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Initial shoot regeneration in the selenium hyperaccumulator Neptunia amplexicaulis and in vitro test system for selenium tolerance and accumulation","authors":"Bennet Buhmann,&nbsp;Jeroen van der Woude,&nbsp;Traud Winkelmann,&nbsp;Antony van der Ent","doi":"10.1007/s13659-025-00532-9","DOIUrl":"10.1007/s13659-025-00532-9","url":null,"abstract":"<div><p>The trace element selenium is essential for human nutrition but is distributed unevenly in soils worldwide with extensive selenium-deficient regions and selenium-enriched (seleniferous) areas. <i>Neptunia amplexicaulis</i> is one of the strongest selenium hyperaccumulator plants known and native to Australian seleniferous soils. Research in the genetic background of the selenium accumulation and tolerance mechanisms of this species lacks biotechnological and molecular tools for functional genetics. Therefore, this study aimed to develop a de novo shoot regeneration protocol for <i>N. amplexicaulis</i> and validate an selenium accumulation test system. Callus was induced on root and hypocotyl explants excised from 5-day old seedlings and cultured on an adjusted MS medium (SIM9) containing 4.5 µM Thidiazuron (TDZ) for two weeks in darkness. After this period, the TDZ concentration was reduced to 0.45 µM, and the explants were transferred to light conditions. In addition, seedlings of <i>N. amplexicaulis</i>, <i>N. heliophila</i> and <i>Medicago truncatula</i> were placed on vertical MS agar plates containing 1.5 mM (standard) or 0.1 mM (low) magnesium sulphate with 0, 30, 90 µM sodium selenate. Initial shoot differentiation was observed 6 weeks after culture initiation. This regeneration response was successfully repeated in a second experiment. The outgrow of the shoot buds into complete shoots was not yet achieved but requires additional media optimization. Additionally, spontaneous shoot regeneration from a root was observed, highlighting potential for further studies. In vitro grown seedlings demonstrated efficient, selective selenium uptake in <i>N. amplexicaulis</i> and identified <i>M. truncatula</i> as a secondary selenium accumulator with selenium concentrations of &gt; 300 µg Se g⁻¹ DM. This project presents the first protocol for inducing early stages of development of indirect shoot organogenesis in <i>N. amplexicaulis</i> from hypocotyl and root explants as prerequisite for genetic transformation, though completing the regeneration cycle remains challenging. <i>Neptunia amplexicaulis</i> hyperaccumulates selenium also under in vitro conditions.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":718,"journal":{"name":"Natural Products and Bioprospecting","volume":"15 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12321714/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144783180","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel peptaibiotics identified from Trichoderma clade Viride","authors":"Tamás Marik,&nbsp;Bonaya Gufu,&nbsp;Anusha Vishwanathula,&nbsp;Dóra Balázs,&nbsp;Ákos Rozsnyói,&nbsp;Gergő Terna,&nbsp;Fanni Kovács,&nbsp;Sándor Kocsubé,&nbsp;Mónika Varga,&nbsp;András Szekeres,&nbsp;Irina S. Druzhinina,&nbsp;Csaba Vágvölgyi,&nbsp;Tamás Papp,&nbsp;Chetna Tyagi,&nbsp;László Kredics","doi":"10.1007/s13659-025-00524-9","DOIUrl":"10.1007/s13659-025-00524-9","url":null,"abstract":"<div><p>This study focuses on the peptaibiome produced by different species of <i>Trichoderma</i> belonging to clade <i>Viride</i>: <i>T. koningii</i> SZMC 28387 (CBS 979.70), <i>T.</i> cf<i>. strigosellum</i> SZMC 28007 (TUCIM 4886/IQ 191), <i>T.</i> cf<i>. dorothopsis</i> SZMC 28390 (TUCIM 416/TUB F-597), <i>T.</i> cf<i>. strigosellum</i> SZMC 28391 (TUCIM 423/DAOM 230018), <i>T. atroviride</i> SZMC 28748 (IMI 206040), <i>T. hamatum</i> SZMC 28747 (TUCIM 2730) and <i>T.</i> cf<i>. dorothopsis</i> SZMC 28005 (TUCIM 4882/IQ 11). We were able to identify new compounds with similarity to already known groups of peptaibiotics, as well as completely newly discovered compounds using high-performance liquid chromatography (HPLC) -mass spectrometry (MS). From the 367 peptaibiotics identified, 216 are peptaibols and 111 are lipopeptaibols. Out of all peptaibols, 55 are previously known, while 161 are newly discovered. The new peptaibol subgroups Strigosellin A, B and Dorothopsin A, B are introduced. Furthermore, besides 38 previously known lipopeptaibols, 73 new lipopeptaibol sequences, named Lipostrigosellins and Lipohamatins are also reported. In addition, 41 peptaibol-like compounds with unusual C-terminus were also found. Out of the 7 strains examined, 5 produced both peptaibols and lipopeptaibols, while 2 only peptaibols. The well-known compound, Trikoningin KA V (TRK-V) also produced by <i>T. koningii</i> SZMC 28387 (CBS 979.70), was studied for its folding dynamics using accelerated molecular dynamics simulations (aMD) for understanding the plausible three-dimensional structures adopted by these peptaibols of clade <i>Viride</i>. We observed a propensity to form kinked, right-handed helical structures when simulated in an aqueous environment.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":718,"journal":{"name":"Natural Products and Bioprospecting","volume":"15 1","pages":""},"PeriodicalIF":4.9,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12316631/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144758894","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}